2-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]-1,1-diphenyl-diazane

Systemtic Name: 2-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]-1,1-diphenyl-diazane Openeye Name: 2-[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-1,1-diphenyl-hydrazine CAS Name: 2-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]-1,1-diphenylhydrazine IUPAC Name: 2-[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine Traditional Name: 2-[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-1,1-diphenyl-hydrazine Formula: C28H28N6O2 MolecularWeight: 480.56092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NN(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NN(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H28N6O2/c35-34(36)26-27(31-33(24-12-6-2-7-13-24)25-14-8-3-9-15-25)29-21-30-28(26)32-18-16-23(17-19-32)20-22-10-4-1-5-11-22/h1-15,21,23H,16-20H2,(H,29,30,31)